@MOLECULE n~6~-d-ornithyl-l-lysine 42 41 0 0 0 SMALL GASTEIGER @ATOM 1 O1 -2.2574 2.3119 0.7761 O.2 1 <1> -0.5467 2 C1 -2.3467 1.3313 0.0635 C.2 1 <1> 0.5109 3 C2 -3.6959 0.8869 -0.5328 C.3 1 <1> -0.0217 4 C3 -4.2056 -0.3248 0.2726 C.3 1 <1> -0.2834 5 C4 -5.4738 -0.8976 -0.3658 C.3 1 <1> -0.2718 6 C5 -6.0435 -2.0378 0.4948 C.3 1 <1> -0.1028 7 N1 -7.2321 -2.6070 -0.1829 N.3 1 <1> -0.6516 8 N2 -4.6689 1.9887 -0.4722 N.3 1 <1> -0.6129 9 N3 -1.2359 0.5891 -0.2591 N.am 1 <1> -0.6074 10 C6 0.0653 0.9927 0.2972 C.3 1 <1> -0.0608 11 C7 1.1797 0.0766 -0.2265 C.3 1 <1> -0.3010 12 C8 2.5269 0.5274 0.3498 C.3 1 <1> -0.2581 13 C9 3.6645 -0.3157 -0.2305 C.3 1 <1> -0.3271 14 C10 5.0231 0.0911 0.3810 C.3 1 <1> -0.0066 15 N4 5.5309 1.4119 -0.0191 N.3 1 <1> -0.6352 16 C11 6.0441 -0.9320 -0.0935 C.2 1 <1> 0.6214 17 O2 6.1944 -1.9072 0.8365 O.3 1 <1> -0.5593 18 O3 6.6309 -0.9659 -1.1396 O.2 1 <1> -0.4964 19 H1 -3.5679 0.6068 -1.6115 H 1 <1> 0.1596 20 H2 -3.4215 -1.1022 0.3309 H 1 <1> 0.1387 21 H3 -4.4077 -0.0207 1.3192 H 1 <1> 0.1525 22 H4 -6.2277 -0.0936 -0.4956 H 1 <1> 0.1648 23 H5 -5.2676 -1.2700 -1.3878 H 1 <1> 0.1542 24 H6 -5.2943 -2.8543 0.5970 H 1 <1> 0.1374 25 H7 -6.2672 -1.6717 1.5192 H 1 <1> 0.1076 26 H8 -7.6741 -3.3185 0.3740 H 1 <1> 0.2454 27 H9 -7.9115 -1.8975 -0.4040 H 1 <1> 0.2480 28 H10 -4.8666 2.2541 0.4837 H 1 <1> 0.2617 29 H11 -4.3305 2.8088 -0.9568 H 1 <1> 0.2576 30 H12 -1.2735 -0.2311 -0.8328 H 1 <1> 0.3113 31 H13 0.2606 2.0577 0.0252 H 1 <1> 0.1533 32 H14 0.0135 0.9643 1.4111 H 1 <1> 0.1501 33 H15 0.9786 -0.9748 0.0550 H 1 <1> 0.1472 34 H16 1.2088 0.1006 -1.3328 H 1 <1> 0.1483 35 H17 2.6900 1.6004 0.1313 H 1 <1> 0.1401 36 H18 2.5126 0.4410 1.4549 H 1 <1> 0.1479 37 H19 3.4742 -1.3899 -0.0299 H 1 <1> 0.1594 38 H20 3.6963 -0.2136 -1.3330 H 1 <1> 0.1558 39 H21 4.9600 0.0791 1.5056 H 1 <1> 0.1835 40 H22 5.8086 1.4399 -0.9906 H 1 <1> 0.2679 41 H23 4.8646 2.1447 0.1630 H 1 <1> 0.2614 42 H24 6.8602 -2.5948 0.5852 H 1 <1> 0.3571 @BOND 1 2 3 1 2 2 1 2 3 3 4 1 4 3 19 1 5 4 5 1 6 4 20 1 7 4 21 1 8 5 6 1 9 5 22 1 10 5 23 1 11 6 7 1 12 6 24 1 13 6 25 1 14 7 26 1 15 7 27 1 16 8 3 1 17 8 28 1 18 8 29 1 19 9 10 1 20 9 2 am 21 9 30 1 22 10 31 1 23 10 32 1 24 11 10 1 25 11 33 1 26 11 34 1 27 12 13 1 28 12 11 1 29 12 35 1 30 12 36 1 31 13 37 1 32 13 38 1 33 14 13 1 34 14 15 1 35 14 39 1 36 15 40 1 37 15 41 1 38 16 14 1 39 17 16 1 40 17 42 1 41 18 16 2